(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C19H21NO4S2 MolecularWeight: 391.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC(=S)N3CCCC3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC(=S)N3CCCC3

InChI

InChI=1S/C19H21NO4S2/c1-2-13-5-6-15-14(10-17(21)24-16(15)9-13)11-23-18(22)12-26-19(25)20-7-3-4-8-20/h5-6,9-10H,2-4,7-8,11-12H2,1H3